ChemSpider 2D Image | 1-(2-Hydroxy-3-methoxypropyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylic acid | C13H22N4O6

1-(2-Hydroxy-3-methoxypropyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC13H22N4O6
  • Average mass330.337 Da
  • Monoisotopic mass330.153931 Da
  • ChemSpider ID51718155

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-Hydroxy-3-methoxypropyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Hydroxy-3-methoxypropyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1-(2-hydroxy-3-methoxypropyl)- [ACD/Index Name]
Acide 1-(2-hydroxy-3-méthoxypropyl)-5-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 242.3±7.0 cm3

Click to predict properties on the Chemicalize site


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